SYNTHESIS, PHOTOPHYSICS AND THEORETICAL AB-INITIO CALCULATIONS OF A BIZWITTERIONIC COMPOUND MODELING THE PHOTOTAUTOMER OF BIPYRIDYL-DIOL

Authors
BOROWICZ P GRABOWSKA A KACZMAREK L LES A ADAMOWICZ L
Citation
P. Borowicz et al., SYNTHESIS, PHOTOPHYSICS AND THEORETICAL AB-INITIO CALCULATIONS OF A BIZWITTERIONIC COMPOUND MODELING THE PHOTOTAUTOMER OF BIPYRIDYL-DIOL, Chemical physics letters, 239(4-6), 1995, pp. 282-289
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
239
Issue
4-6
Year of publication
1995
Pages
282 - 289
Database
ISI
SICI code
0009-2614(1995)239:4-6<282:SPATAC>2.0.ZU;2-D
Abstract
A new compound, 1'-dimethyl-3-oxido-[2,2'-bipyridinedium]hydroxide hyd rate (1,1'-dimethyl-3,3'-dioxido-[2,2'-bipyridinedium] - DDB), was syn thesized as a model of the transient product of the excited state intr amolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)(2)). The photophysics and quantum chemical ah initio calculations of DDB are reported. The results confirm the zwitt erionic character of the excited phototautomer of BP(OH)(2).